SCHEMBL4100925

SCHEMBL4100925

Cc1noc(C)c1-c1ccc2nc(N)nc(-c3ccccc3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.49
BRD2 P25440 1/20 0.49
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
TDO2 P48775 1/20 0.43
ADORA2A P29274 2/20 0.41
NUDT1 P36639 1/20 0.41
MAPK14 Q16539 1/20 0.40
CYP1A2 P05177 4/20 0.39
CYP2C19 P33261 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 3/20 0.38
CA12 O43570 1/20 0.38
MT-CO2 P00403 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4102246 0.91 PTGS2 (0.52) BRD4BRD2PTGS1PTGS2ADORA2A
SCHEMBL4103089 0.80 BRD4 (0.42) BRD4BRD2CYP1A2CYP2C19CLK4
SCHEMBL4101502 0.79 ADORA2A (0.46) ADORA2ANUDT1ALDH1A1ADORA1DHFR
SCHEMBL4105849 0.78 AKT2 (0.49) ADORA2ANUDT1CYP1A2KMT2AALDH1A1
SCHEMBL4107587 0.78 PTGS2 (0.45) BRD4PTGS1PTGS2MAPK14CYP1A2
SCHEMBL4101993 0.78 PTGS2 (0.45) PTGS1PTGS2MAPK14KMT2AALDH1A1
SCHEMBL4102291 0.77 MAPT (0.45) ADORA2ANUDT1CYP1A2KMT2AALDH1A1
SCHEMBL4097472 0.76 ADORA2A (0.53) ADORA2ANUDT1CYP1A2KMT2AALDH1A1
SCHEMBL4102764 0.76 TLR8 (0.40) BRD4BRD2MBOAT4DHFR
SCHEMBL4106255 0.75 KDM4E (0.44) PTGS1PTGS2ADORA2ANUDT1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD BRD4 1827/4885BRD2 1553/4885PTGS1 1117/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.